Mol:FL3FEGNS0009
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-2.6513 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3798 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7399 -0.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3715 -0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6429 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2828 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7315 -0.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3631 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6346 0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2745 0.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5198 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2663 1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3859 1.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7614 1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4847 2.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1675 2.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5429 1.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4685 -1.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0583 3.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6318 3.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0936 -0.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7576 1.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7538 1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1540 3.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1330 4.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2366 0.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0558 0.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
16 25 1 0 0 0 0
25 26 1 0 0 0 0
1 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 27 28
M SBL 5 1 29
M SMT 5 OCH3
M SVB 5 29 -2.5983 0.482
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 25 26
M SBL 4 1 27
M SMT 4 OCH3
M SVB 4 27 1.3907 1.7424
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 1.8838 -0.022
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -2.9555 -0.6877
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 2.241 1.1662
S SKP 8
ID FL3FEGNS0009
KNApSAcK_ID C00003949
NAME Umuhengerin;5-Hydroxy-6,7,3',4',5'-pentamethoxyflavone;5-Hydroxy-6,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 29215-55-2
FORMULA C20H20O8
EXACTMASS 388.11581761599996
AVERAGEMASS 388.368
SMILES COc(c1OC)cc(O2)c(C(=O)C=C(c(c3)cc(OC)c(OC)c3OC)2)c1O
M END
</pre>
